{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.18172 7.633515 7.293759 7.046908 6.852913 6.693083 6.557168 6.438933 6.334303 6.240469 6.155409 6.077622 6.005961 5.939532 5.877622 5.819656 5.76516 5.713744 5.665076 5.618879 5.574913 5.532974 5.492881 5.45448 5.428337 5.400823 5.371786 5.341047 5.308394 5.273573 5.236275 5.196121 5.152637 5.10522 5.053089 4.995199 4.930119 4.855808 4.769205 4.665423 4.535917 4.36358 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.181720000000001e-10 7.633515e-10 7.293759e-10 7.046908e-10 6.852913e-10 6.693083e-10 6.557168e-10 6.438933e-10 6.334303e-10 6.240469000000001e-10 6.155409e-10 6.077622000000001e-10 6.005961000000001e-10 5.939532e-10 5.877622e-10 5.819656000000001e-10 5.76516e-10 5.713744e-10 5.665076e-10 5.618879e-10 5.574913e-10 5.532974e-10 5.492881e-10 5.45448e-10 5.428337e-10 5.400823e-10 5.371786000000001e-10 5.341047e-10 5.308394e-10 5.273573e-10 5.236275e-10 5.196121e-10 5.152637000000001e-10 5.10522e-10 5.053089e-10 4.995199e-10 4.930119e-10 4.855807999999999e-10 4.769205000000001e-10 4.665422999999999e-10 4.5359170000000006e-10 4.36358e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.755847 1.15428 1.4721 1.70809 1.87615 1.99725 2.08906 2.16238 2.22357 2.27601 2.32198 2.36331 2.40131 2.43669 2.46919 2.49818 2.52322 2.54416 2.56115 2.57443 2.58428 2.59096 2.59476 2.59597 2.5954 2.59356 2.5902 2.58503 2.57766 2.56746 2.55312 2.53285 2.50473 2.46632 2.41428 2.34586 2.25958 2.15472 2.03269 1.8878 1.6392 1.02393 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2110003923018178e-19 1.8493604298570242e-19 2.35856420347968e-19 2.7366618642222724e-19 3.0059236671139203e-19 3.1999472558928e-19 3.347043091448448e-19 3.4645146812855046e-19 3.562551868712256e-19 3.646570010707008e-19 3.7202220699651843e-19 3.786440029702848e-19 3.8473227412932484e-19 3.904007750137152e-19 3.9560784903131525e-19 4.0025255905501443e-19 4.042644093134976e-19 4.0761936715745286e-19 4.10341465236192e-19 4.124691557886144e-19 4.1404729976010244e-19 4.151175537427968e-19 4.157263808587008e-19 4.159202442298176e-19 4.1582892016243203e-19 4.1553411966420485e-19 4.14995788319616e-19 4.1416746300666243e-19 4.129866588371328e-19 4.1135243868391685e-19 4.090549174096896e-19 4.05807305399328e-19 4.013019847416384e-19 3.951480243411456e-19 3.8681029720650246e-19 3.7584820476698883e-19 3.6202462488272646e-19 3.4522420083701767e-19 3.256728395333952e-19 3.02458902474624e-19 2.62628791681536e-19 1.6405167073357442e-19 ] } }